2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one

C14H13N5O2 — CID 168658580

IUPAC2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2cc(=O)c3ccccc3[nH]2)C1
InChIInChI=1S/C14H13N5O2/c15-18-16-7-9-5-14(21)19(8-9)13-6-12(20)10-3-1-2-4-11(10)17-13/h1-4,6,9H,5,7-8H2,(H,17,20)
InChIKeyHZYWOBBBSKCTEO-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.19
Rot. Bonds3

About 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one

2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one (PubChem CID 168658580) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one
PubChem CID168658580
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2cc(=O)c3ccccc3[nH]2)C1
InChIInChI=1S/C14H13N5O2/c15-18-16-7-9-5-14(21)19(8-9)13-6-12(20)10-3-1-2-4-11(10)17-13/h1-4,6,9H,5,7-8H2,(H,17,20)
InChIKeyHZYWOBBBSKCTEO-UHFFFAOYSA-N
XLogP2.19
TPSA101.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one?
The IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one (CID 168658580) is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one?
The canonical SMILES for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one is [N-]=[N+]=NCC1CC(=O)N(c2cc(=O)c3ccccc3[nH]2)C1.
What is the InChIKey of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one?
The InChIKey is HZYWOBBBSKCTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-18-16-7-9-5-14(21)19(8-9)13-6-12(20)10-3-1-2-4-11(10)17-13/h1-4,6,9H,5,7-8H2,(H,17,20).
What are the key properties of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one?
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one has a molecular weight of 283.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1H-quinolin-4-one is sourced from PubChem (CID 168658580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).